1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine

C13H18N4O — CID 116974564

IUPAC1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine
SMILESCc1ccc(-c2cnc(NCCC(C)N)nc2)o1
InChIInChI=1S/C13H18N4O/c1-9(14)5-6-15-13-16-7-11(8-17-13)12-4-3-10(2)18-12/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16,17)
InChIKeyFDTFHZJIIMGXHB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.19
Rot. Bonds5

About 1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine

1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine (PubChem CID 116974564) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine
PubChem CID116974564
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine
SMILESCc1ccc(-c2cnc(NCCC(C)N)nc2)o1
InChIInChI=1S/C13H18N4O/c1-9(14)5-6-15-13-16-7-11(8-17-13)12-4-3-10(2)18-12/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16,17)
InChIKeyFDTFHZJIIMGXHB-UHFFFAOYSA-N
XLogP2.19
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol
CID 116975077
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propanenitrile
CID 116975727
2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974395
1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one
CID 116975894
1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974573
1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine
CID 116974540
1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974554
N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116977334
3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol
CID 170875213
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
1-N-(2-methylpyrimidin-4-yl)butane-1,3-diamine
CID 63251627

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine?
The IUPAC name of 1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine (CID 116974564) is 1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine.
What is the SMILES notation for 1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine?
The canonical SMILES for 1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine is Cc1ccc(-c2cnc(NCCC(C)N)nc2)o1.
What is the InChIKey of 1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine?
The InChIKey is FDTFHZJIIMGXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(14)5-6-15-13-16-7-11(8-17-13)12-4-3-10(2)18-12/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine?
1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine is sourced from PubChem (CID 116974564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).